[gmx-users] error in running pdb2gmx

2014-09-24 Thread Yaser Hosseini
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[gmx-users] error in running pdb2gmx

2013-11-19 Thread hasthi
Dear Justin, Thank you for your reply. Yeah I have modified my force field to include the phosphorylated Serine residue. Below is the pdb2gmx command employed pdb2gmx -f alpha_ser129p.pdb -o alpha_sep129p.gro -ff gromos43a1 -ignh error : Fatal error: Atom OXT in residue ALA 140